Ivabradine

Molecular Structure of Ivabradine (155974-00-8):

IUPAC Name: 3-[3-[[(8S)-3,4-Dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one 
Molecular Formula: C₂₇H₃₆N₂O₅
Molecular Weight: 468.58514 g/mol
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 6
Canonical SMILES: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC3CC4=CC(=C(C=C34)OC)OC
Isomeric SMILES: CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC
InChI: InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1
InChIKey: ACRHBAYQBXXRTO-OAQYLSRUSA-N
Index of Refraction: 1.56
Molar Refractivity: 132.22 cm³
Molar Volume: 408.7 cm³
Surface Tension: 42.8 dyne/cm
Density Ivabradine (CAS NO.155974-00-8): 1.146 g/cm³
Flash Point: 332.9 °C
Boiling Point: 626.9 °C at 760 mmHg
Enthalpy of Vaporization: 92.79 kJ/mol
Vapour Pressure: 1.24E-15 mmHg at 25 °C
Water Solubility: 0.7921 mg/L at 25 °C

  Ivabradine (CAS NO.155974-00-8) is also known as Ivabradine [INN] ; (S)-3-(3-(((3,4-Dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one ; 3-(3-((((7S)-3,4-Dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one ; 7,8-Dimethoxy-3-(3-(((4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzazepin-2-one ; Procoralan ; S 16257 ; S 16257-2 ; S-16257 ; S-16257-2 ; UNII-3H48L0LPZQ ; 2H-3-Benzazepin-2-one, 3-(3-(((3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, (S)- . Ivabradine (155974-00-8) is selective and specific If channel blocker for the treatment chronic stable angina pectoris associated with normal sinus rhythm.